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2.
Improved conformational sampling methods for molecular dynamics simulations
by Okur, Asim, Ph.D.  State University of New York at Stony Brook. 2007: 183 pages; 3299725.
3.
Molecular dynamics studies of metallic nanoparticles
by Henz, Brian John, Ph.D.  University of Maryland, College Park. 2009: 174 pages; 3359380.
4.
Molecular Dynamics Study of Polymers and Atomic Clusters
by Sponseller, Daniel Ray, Ph.D.  George Mason University. 2017: 137 pages; 10685723.
5.
Event-Driven Molecular Dynamics Simulations of Protein Mixtures
by Cyran, Marek A., M.S.  Rochester Institute of Technology. 2011: 55 pages; 1492492.
8.
Ab initio Molecular Dynamics Simulations to Understand Speciation and Solvation Structure of Common Herbicides
by Windom, Zachary W., M.S.  Mississippi State University. 2018: 95 pages; 10980547.
10.
A Multiscale Micromophic Molecular Dynamics: Theory and Applications
by Tong, Qi, Ph.D.  University of California, Berkeley. 2016: 105 pages; 10150814.
12.
Molecular dynamics study of solvation phenomena to guide surfactant design
by Dalvi, Vishwanath Haily, Ph.D.  The University of Texas at Austin. 2009: 153 pages; 3389912.
15.
Excitation Dynamics in Molecular Systems From Efficient Grid-Based Real-Time Density Functional Theory
by Schelter, Ingo, Dr.Nat.  Universitaet Bayreuth (Germany). 2017: 182 pages; 10742045.
16.
Identification and Characterization of Protein-Ligand Binding Modes via Molecular Dynamics
by Bremer, Parker Ladd, M.S.  California State University, Long Beach. 2019: 81 pages; 13859447.
17.
Model systems for molecular docking: Understanding molecular recognition in polar and charged binding sites
by Boyce, Sarah Emily, Ph.D.  University of California, San Francisco. 2009: 257 pages; 3390113.
18.
Simulation Studies of Signaling and Regulatory Proteins
by Mohammadiarani, Hossein, Ph.D.  University of New Hampshire. 2017: 318 pages; 10685640.
19.
Computational Investigation of Aromatic Oligoamide Foldamers
by Abramyan, Ara M., Ph.D.  University of the Sciences in Philadelphia. 2014: 113 pages; 3647091.
21.
Numerical and Computational Solutions for Biochemical Kinetics, Druggability, and Simulation
by Votapka, Lane William, Ph.D.  University of California, San Diego. 2016: 280 pages; 10062341.
22.
Surfactant Dynamics: Spreading and Wave Induced Dynamics of a Monolayer
by Strickland, Stephen Lee, Ph.D.  North Carolina State University. 2015: 215 pages; 10110541.
23.
Force field development with GOMC, a fast new Monte Carlo molecular simulation code
by Mick, Jason Richard, Ph.D.  Wayne State University. 2016: 171 pages; 10105010.
24.
Enhanced Sampling Development for Accessing Long Time Scale Protein Dynamics
by Pierce, Levi C. T., Ph.D.  University of California, San Diego. 2012: 115 pages; 3512482.
25.
Molecular dynamic simulation studies of the androgen receptor complexed with 5α-dihydrotestosterone and an allosteric ligand
by Villarreal, Everardo, II, M.S.  The University of Texas Rio Grande Valley. 2016: 47 pages; 10134056.
27.
Using Computer Simulation to Design New Polymers
by Luo, Miao, Ph.D.  Clarkson University. 2017: 90 pages; 10686044.
28.
A Systematic Property Based Approach for Molecular Synthesis Using Higher Order Molecular Groups and Molecular Descriptors
by Chemmangattuvalappil, Nishanth Gopalakrishnan, Ph.D.  Auburn University. 2010: 248 pages; 3446234.
29.
Molecular Level Studies on the Cannabinoid Receptor Type 1 (CB1): Biased Signaling and MD Simulations
by Al Zoubi, Rufaida M., Ph.D.  The University of North Carolina at Greensboro. 2018: 130 pages; 10751796.
30.
Computational Studies of Proteins: Dynamics and Interactions with Small Molecules
by Park, Min Sun, Ph.D.  University of Rochester. 2011: 109 pages; 3458547.
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